SCHEMBL5559831

SCHEMBL5559831

Cc1ccccc1C(=O)c1cnc(Nc2ccc(CN)cc2)s1.Cc1ccccc1C(=O)c1cnc(Nc2ccc(CNS(=O)(=O)c3cc(F)ccc3C)cc2)s1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.48
MAPK12 P53778 6/20 0.48
MAPK11 Q15759 6/20 0.48
MAPK14 Q16539 6/20 0.48
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5404299 0.96 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5561223 0.93 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5555330 0.92 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5559808 0.92 HTT (0.43) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5560863 0.91 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5559190 0.90 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5393468 0.90 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5554671 0.90 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5554614 0.90 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5394300 0.89 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658288-B1 2-AMINO-5-BENZOYLTHIAZOLE NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-12-05 EP disclosed